(1R,4R,6S)-6-benzamido-N-(3-ethylphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide

C22H25N3O2 — CID 91903403

IUPAC(1R,4R,6S)-6-benzamido-N-(3-ethylphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESCCc1cccc(NC(=O)N2C[C@@H]3C[C@H](NC(=O)c4ccccc4)[C@H]2C3)c1
InChIInChI=1S/C22H25N3O2/c1-2-15-7-6-10-18(11-15)23-22(27)25-14-16-12-19(20(25)13-16)24-21(26)17-8-4-3-5-9-17/h3-11,16,19-20H,2,12-14H2,1H3,(H,23,27)(H,24,26)/t16-,19+,20-/m1/s1
InChIKeyGMJGCRUFDRKHGX-LSTHTHJFSA-N
MW363.46 g/mol
LogP3.67
Rot. Bonds4

About (1R,4R,6S)-6-benzamido-N-(3-ethylphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide

(1R,4R,6S)-6-benzamido-N-(3-ethylphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 91903403) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is (1R,4R,6S)-6-benzamido-N-(3-ethylphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1R,4R,6S)-6-benzamido-N-(3-ethylphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID91903403
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name(1R,4R,6S)-6-benzamido-N-(3-ethylphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESCCc1cccc(NC(=O)N2C[C@@H]3C[C@H](NC(=O)c4ccccc4)[C@H]2C3)c1
InChIInChI=1S/C22H25N3O2/c1-2-15-7-6-10-18(11-15)23-22(27)25-14-16-12-19(20(25)13-16)24-21(26)17-8-4-3-5-9-17/h3-11,16,19-20H,2,12-14H2,1H3,(H,23,27)(H,24,26)/t16-,19+,20-/m1/s1
InChIKeyGMJGCRUFDRKHGX-LSTHTHJFSA-N
XLogP3.67
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-benzamido-N-(4-chloro-2-methylphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 156601992
(1R,4S,6S)-N-(3-acetylphenyl)-6-(methanesulfonamido)-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 71836830
N-[2-(3,5-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]benzamide
CID 156602136
N-[(1R,4R,6S)-2-[2-(3-chloro-4-methoxyphenyl)acetyl]-2-azabicyclo[2.2.1]heptan-6-yl]benzamide
CID 53184777
N-(3-ethylphenyl)-3-hydroxypiperidine-1-carboxamide
CID 47032364
1-N-(3-ethylphenyl)pyrrolidine-1,3,4-tricarboxamide
CID 126815827
3-(cyclopropanecarbonylamino)-N-(3-ethylphenyl)benzamide
CID 32736931
1-N,3-N,5-N-tris(3-ethylphenyl)benzene-1,3,5-tricarboxamide
CID 67992311
2-[1-[(3-ethylphenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61189756
2-[(3-ethylphenyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114390366
N-(3-benzamidophenyl)-4-ethylbenzamide
CID 17102471
5-benzamido-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 156609917

Frequently Asked Questions

What is the IUPAC name of (1R,4R,6S)-6-benzamido-N-(3-ethylphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1R,4R,6S)-6-benzamido-N-(3-ethylphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide (CID 91903403) is (1R,4R,6S)-6-benzamido-N-(3-ethylphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1R,4R,6S)-6-benzamido-N-(3-ethylphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1R,4R,6S)-6-benzamido-N-(3-ethylphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide is CCc1cccc(NC(=O)N2C[C@@H]3C[C@H](NC(=O)c4ccccc4)[C@H]2C3)c1.
What is the InChIKey of (1R,4R,6S)-6-benzamido-N-(3-ethylphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is GMJGCRUFDRKHGX-LSTHTHJFSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-2-15-7-6-10-18(11-15)23-22(27)25-14-16-12-19(20(25)13-16)24-21(26)17-8-4-3-5-9-17/h3-11,16,19-20H,2,12-14H2,1H3,(H,23,27)(H,24,26)/t16-,19+,20-/m1/s1.
What are the key properties of (1R,4R,6S)-6-benzamido-N-(3-ethylphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide?
(1R,4R,6S)-6-benzamido-N-(3-ethylphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,6S)-6-benzamido-N-(3-ethylphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 91903403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).